3C-SiC又称β-SiC,有着优异的耐高温、耐腐蚀、耐辐照性能,是反应堆这类复杂环境中的理想材料。近年来,一维碳化硅纳米线材料成为碳化硅材料研究领域的热门研究方向,同时也面临加工手段匮乏、加工难度大的问题。我们通过化学气相沉积法...3C-SiC又称β-SiC,有着优异的耐高温、耐腐蚀、耐辐照性能,是反应堆这类复杂环境中的理想材料。近年来,一维碳化硅纳米线材料成为碳化硅材料研究领域的热门研究方向,同时也面临加工手段匮乏、加工难度大的问题。我们通过化学气相沉积法成功制备了含有高密度堆叠层错的3C-SiC纳米线,并采用扫描电子显微镜(Scanning Electron Microscope,SEM)、透射电子显微镜(Transmission Electron Microscope,TEM)、X射线衍射(X-Ray Diffraction,XRD)以及拉曼光谱(Raman spectrum)等多种手段对制备出来的碳化硅纳米线进行了微观结构表征,揭示了其独特的微观形态和晶体结构特征;进一步研究了超声裁剪碳化硅纳米线,利用“气泡-射流”模型结合碳化硅纳米线的形态解释了碳化硅纳米线的超声裁剪过程,探索了碳化硅纳米线的直径、强度、缺陷等对其在超声过程中断裂行为的影响。本研究为碳化硅纳米线的超声裁剪加工和纳米线的强度研究提供了新的视角,对于未来碳化硅纳米线在核能领域的应用具有重要的意义。展开更多
This study delves into the charge transfer mechanism of boron (B)-doped 3C-SiC through first-principles investigations. We explore the effects of B doping on the electronic properties of 3C-SiC, focusing on a 12.5% im...This study delves into the charge transfer mechanism of boron (B)-doped 3C-SiC through first-principles investigations. We explore the effects of B doping on the electronic properties of 3C-SiC, focusing on a 12.5% impurity concentration. Our comprehensive analysis encompasses structural properties, electronic band structures, and charge density distributions. The optimized lattice constant and band gap energy of 3C-SiC were found to be 4.373 Å and 1.36 eV respectively, which is in agreement with previous research (Bui, 2012;Muchiri et al., 2018). Our results show that B doping narrows the band gap, enhances electrical conductivity, and influences charge transfer interactions. The charge density analysis reveals substantial interactions between B dopants and surrounding carbon atoms. This work not only enhances our understanding of the material’s electronic properties, but also highlights the importance of charge density analysis for characterizing charge transfer mechanisms and their implications in the 3C-SiC semiconductors.展开更多
文摘3C-SiC又称β-SiC,有着优异的耐高温、耐腐蚀、耐辐照性能,是反应堆这类复杂环境中的理想材料。近年来,一维碳化硅纳米线材料成为碳化硅材料研究领域的热门研究方向,同时也面临加工手段匮乏、加工难度大的问题。我们通过化学气相沉积法成功制备了含有高密度堆叠层错的3C-SiC纳米线,并采用扫描电子显微镜(Scanning Electron Microscope,SEM)、透射电子显微镜(Transmission Electron Microscope,TEM)、X射线衍射(X-Ray Diffraction,XRD)以及拉曼光谱(Raman spectrum)等多种手段对制备出来的碳化硅纳米线进行了微观结构表征,揭示了其独特的微观形态和晶体结构特征;进一步研究了超声裁剪碳化硅纳米线,利用“气泡-射流”模型结合碳化硅纳米线的形态解释了碳化硅纳米线的超声裁剪过程,探索了碳化硅纳米线的直径、强度、缺陷等对其在超声过程中断裂行为的影响。本研究为碳化硅纳米线的超声裁剪加工和纳米线的强度研究提供了新的视角,对于未来碳化硅纳米线在核能领域的应用具有重要的意义。
文摘This study delves into the charge transfer mechanism of boron (B)-doped 3C-SiC through first-principles investigations. We explore the effects of B doping on the electronic properties of 3C-SiC, focusing on a 12.5% impurity concentration. Our comprehensive analysis encompasses structural properties, electronic band structures, and charge density distributions. The optimized lattice constant and band gap energy of 3C-SiC were found to be 4.373 Å and 1.36 eV respectively, which is in agreement with previous research (Bui, 2012;Muchiri et al., 2018). Our results show that B doping narrows the band gap, enhances electrical conductivity, and influences charge transfer interactions. The charge density analysis reveals substantial interactions between B dopants and surrounding carbon atoms. This work not only enhances our understanding of the material’s electronic properties, but also highlights the importance of charge density analysis for characterizing charge transfer mechanisms and their implications in the 3C-SiC semiconductors.
